1-(5-azanyl-2-chloranyl-phenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-(5-azanyl-2-chloranyl-phenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(5-amino-2-chloro-phenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(5-amino-2-chlorophenyl)-4-[2-(4-phenyl-1-piperazinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(5-amino-2-chlorophenyl)-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(5-amino-2-chloro-phenyl)-4-[2-(4-phenylpiperazino)ethyl]-2,4-dihydro-1H-isoquinolin-3-one Formula: C27H29ClN4O MolecularWeight: 460.99836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2C3=CC=CC=C3C(NC2=O)C4=C(C=CC(=C4)N)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCC2C3=CC=CC=C3C(NC2=O)C4=C(C=CC(=C4)N)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H29ClN4O/c28-25-11-10-19(29)18-24(25)26-22-9-5-4-8-21(22)23(27(33)30-26)12-13-31-14-16-32(17-15-31)20-6-2-1-3-7-20/h1-11,18,23,26H,12-17,29H2,(H,30,33)